9,10-Anthracenedione, 1-(butylamino)-4-(methylamino)-
Basic information
- CAS
68227-28-1- Standard SMILES
CCCCNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O- InChIKey
KWKQLGSQUUYRDV-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-(butylamino)-4-(methylamino)-
- IUPAC
- 1-(butylamino)-4-(methylamino)anthracene-9,10-dione
- English name
- 1-(butylamino)-4-(methylamino)anthraquinone
- Molecular formula
- C19H20N2O2
- Molecular weight
- 308.37
Names & synonyms
68227-28-1EINECS 269-342-89,10-Anthracenedione, 1-(butylamino)-4-(methylamino)-1-(Butylamino)-4-(methylamino)anthraquinoneDTXSID70712801-(n-Butylamino)-4-methylamino-9,10-anthracenedioneRefChem:548627DTXCID7045730269-342-81-(butylamino)-4-(methylamino)anthracene-9,10-dioneSCHEMBL11310247KWKQLGSQUUYRDV-UHFFFAOYSA-N
Show more names
1-(Butylamino)-4-(methylamino)-9,10-anthracenedione
NS00036493
Database identifiers
- CAS
68227-28-1- PubChem CID
- 109809
- DTXSID
DTXSID7071280- EC Number
- 269-342-8
- Nikkaji
- J317.435B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-(butylamino)-4-(methylamino)- (68227-28-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-(butylamino)-4-(methylamino)-: ACTIVE
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Related reactions
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Compound notes
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